6,9-bis(fluoranyl)-10,13,16-trimethyl-17-(3-methylimidazol-4-yl)carbonyloxy-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid

Systemtic Name: 6,9-bis(fluoranyl)-10,13,16-trimethyl-17-(3-methylimidazol-4-yl)carbonyloxy-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid Openeye Name: 6,9-difluoro-11-hydroxy-10,13,16-trimethyl-17-(3-methylimidazole-4-carbonyl)oxy-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid CAS Name: 6,9-difluoro-11-hydroxy-10,13,16-trimethyl-17-[(3-methyl-4-imidazolyl)-oxomethoxy]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid IUPAC Name: 6,9-difluoro-11-hydroxy-10,13,16-trimethyl-17-(3-methylimidazole-4-carbonyl)oxy-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid Traditional Name: 6,9-difluoro-11-hydroxy-3-keto-10,13,16-trimethyl-17-(3-methylimidazole-4-carbonyl)oxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid Formula: C26H30F2N2O5S MolecularWeight: 520.588606

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)S)OC(=O)C5=CN=CN5C)C)O)F)C)F

Isomeric SMILES

CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)S)OC(=O)C5=CN=CN5C)C)O)F)C)F

InChI

InChI=1S/C26H30F2N2O5S/c1-13-7-15-16-9-18(27)17-8-14(31)5-6-23(17,2)25(16,28)20(32)10-24(15,3)26(13,22(34)36)35-21(33)19-11-29-12-30(19)4/h5-6,8,11-13,15-16,18,20,32H,7,9-10H2,1-4H3,(H,34,36)